Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-559852

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-559852
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Cs', 'U', 'Ga', 'P', 'O']
  • Chemical System: Cs-Ga-O-P-U
  • Density: 4.097420561412747
  • Atomic Density: 0.05586013780137195
  • Unit Cell Volume: 537.055603168655
  • Molar Volume: 10.78074812742781
  • Full Formula: Cs2 U2 Ga2 P4 O20
  • Reduced Formula: CsUGa(PO5)2
  • Formula Anonymous: ABCD2E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -239.33931408
  • Final energy per atom: -7.977977136000001
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.